O 10: Methods: Electronic structure theory & Methods: other (theory)
Monday, March 22, 2010, 15:00–17:15, H31
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15:00 |
O 10.1 |
The importance of van der Waals dispersion forces in ice — •Biswajit Santra, Angelos Michaelides, and Matthias Scheffler
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15:15 |
O 10.2 |
Density functional calculations for thousands of atoms: KKRnano - recent developments and first applications — •Alexander Thiess, Rudolf Zeller, and Stefan Blügel
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15:30 |
O 10.3 |
Using the kinetic energy density in local density functionals — •Georg Madsen, Lara Ferrighi, and Bjork Hammer
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15:45 |
O 10.4 |
Adsorption behavior of super-heavy elements from 112 to 118 on inert and metal surfaces — •Josef Anton and Timo Jacob
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16:00 |
O 10.5 |
Real-Space DFT for large Molecules on Surfaces — •Paul Baumeister, Daniel Wortmann, Tomoya Ono, and Stefan Blügel
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16:15 |
O 10.6 |
Van der Waals forces in solids: Challenges for density functionals — •Guo-Xu Zhang, Alexandre Tkatchenko, and Matthias Scheffler
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16:30 |
O 10.7 |
Exchange an Correlation effects in the electronic properties of transition metal oxides: the example of NiO — •Matteo Guzzo, Matteo Gatti, and Lucia Reining
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16:45 |
O 10.8 |
Determination of structural and electronic properties of different titanates by means of XANES — •Stephan Borek, Remya Govind, Martin Trautmann, Franziska Steudel, Michael Huth, Liudmilla Makhova, Joachim Gräfe, Daniel Wett, Karl-Michael Schindler, Reinhard Denecke, and Angelika Chassé
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17:00 |
O 10.9 |
Particle redeposition and the non-local damping term in the Kuramoto-Sivashinsky equation — •Nils Anspach and Stefan Linz
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